AB43581
35700-40-4 | 2,3-Dihydro-1-benzofuran-7-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB43581
ChemicalName
2,3-Dihydro-1-benzofuran-7-carboxylic acid
CasNumber
35700-40-4
MolecularFormula
C9H8O3
MolecularWeight
164.158
MdlNumber
MFCD00671526
Smiles
OC(=O)c1cccc2c1OCC2
Complexity
190
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AB43581
ChemicalName: 2,3-Dihydro-1-benzofuran-7-carboxylic acid
CasNumber: 35700-40-4
MolecularFormula: C9H8O3
MolecularWeight: 164.158
MdlNumber: MFCD00671526
Smiles: OC(=O)c1cccc2c1OCC2
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AB43581
ChemicalName:
2,3-Dihydro-1-benzofuran-7-carboxylic acid
CasNumber:
35700-40-4
MolecularFormula:
C9H8O3
MolecularWeight:
164.158
MdlNumber:
MFCD00671526
Smiles:
OC(=O)c1cccc2c1OCC2
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: AB43582
ChemicalName: 1,2,3,4-Tetrahydro-4-quinolinone, HCl
CasNumber: 71412-22-1
MolecularFormula: C9H10ClNO
MolecularWeight: 183.6348
MdlNumber: MFCD11052533
Smiles: O=C1CCNc2c1cccc2.Cl
Complexity: 167
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB43582
ChemicalName:
1,2,3,4-Tetrahydro-4-quinolinone, HCl
CasNumber:
71412-22-1
MolecularFormula:
C9H10ClNO
MolecularWeight:
183.6348
MdlNumber:
MFCD11052533
Smiles:
O=C1CCNc2c1cccc2.Cl
Complexity:
167
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(C(=O)O)(O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(C(=O)O)(O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB43584
ChemicalName: 2,3-Dihydroxy-5-nitrobenzaldehyde
CasNumber: 52924-54-6
MolecularFormula: C7H5NO5
MolecularWeight: 183.1183
MdlNumber: MFCD25964229
Smiles: O=Cc1cc(cc(c1O)O)[N+](=O)[O-]
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB43584
ChemicalName:
2,3-Dihydroxy-5-nitrobenzaldehyde
CasNumber:
52924-54-6
MolecularFormula:
C7H5NO5
MolecularWeight:
183.1183
MdlNumber:
MFCD25964229
Smiles:
O=Cc1cc(cc(c1O)O)[N+](=O)[O-]
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.1